methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate

C11H17NO3S — CID 43536087

IUPACmethyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
SMILESCOC(=O)CC(C)OCCc1scnc1C
InChIInChI=1S/C11H17NO3S/c1-8(6-11(13)14-3)15-5-4-10-9(2)12-7-16-10/h7-8H,4-6H2,1-3H3
InChIKeyWTOQCIPABDZTIO-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.96
Rot. Bonds6

About methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate

methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate (PubChem CID 43536087) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
PubChem CID43536087
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Namemethyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
SMILESCOC(=O)CC(C)OCCc1scnc1C
InChIInChI=1S/C11H17NO3S/c1-8(6-11(13)14-3)15-5-4-10-9(2)12-7-16-10/h7-8H,4-6H2,1-3H3
InChIKeyWTOQCIPABDZTIO-UHFFFAOYSA-N
XLogP1.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186
methyl 2-bromo-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoate
CID 81091489
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
CID 65444170
triethyl-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-oxoethyl]azanium bromide
CID 167666489
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate?
The IUPAC name of methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate (CID 43536087) is methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate.
What is the SMILES notation for methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate?
The canonical SMILES for methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate is COC(=O)CC(C)OCCc1scnc1C.
What is the InChIKey of methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate?
The InChIKey is WTOQCIPABDZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(6-11(13)14-3)15-5-4-10-9(2)12-7-16-10/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate?
methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate has a molecular weight of 243.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate is sourced from PubChem (CID 43536087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).